CID 455378

Chembl7287

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)C)OC)C
InChI
InChI=1S/C22H28N2O3/c1-5-27-20-9-7-6-8-19(20)23-10-12-24(13-11-23)22(25)18-14-16(2)21(26-4)17(3)15-18/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey
MRASUQIQKGAPAU-UHFFFAOYSA-N
Compound name
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.21 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 192.0
[M+Na]+ 391.19922 197.6
[M-H]- 367.20272 198.4
[M+NH4]+ 386.24382 201.4
[M+K]+ 407.17316 193.2
[M+H-H2O]+ 351.20726 180.8
[M+HCOO]- 413.20820 207.5
[M+CH3COO]- 427.22385 219.6
[M+Na-2H]- 389.18467 190.5
[M]+ 368.20945 192.5
[M]- 368.21055 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.